propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate sulfate

Systemtic Name: propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate sulfate Openeye Name: isopropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylate sulfate CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester sulfate IUPAC Name: propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate sulfate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester sulfate Formula: C34H47NO8S-2 MolecularWeight: 629.80388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C34H47NO4.H2O4S/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3;1-5(2,3)4/h15-20,24-25H,6-14,21-23H2,1-5H3;(H2,1,2,3,4)/p-2